Geometry & MOs

Info

ID:	61969
PubChem CID:	26716373
Reduced:	ClSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	371.244701
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	6.83
IP(EA), eV:	-8.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-4-oxo-3-propylphthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)Cl)N3CCCCC3

DOS

IR

Vibrations